86 citations · 212 across the 14 of their papers we have counts for
3 papers · 1 filter
Computational science and re-discovery: open-source implementations of ellipsoidal harmonics for problems in potential theory
Jaydeep P. Bardhan, Matthew G. Knepley
We present two open-source (BSD) implementations of ellipsoidal harmonic expansions for solving problems of potential theory using separation of variables. Ellipsoidal harmonics ar…
Mathematical Analysis of the BIBEE Approximation for Molecular Solvation: Exact Results for Spherical Inclusions
Jaydeep P. Bardhan, Matthew G. Knepley
We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics,…
Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
Rio Yokota, Jaydeep P. Bardhan, Matthew G. Knepley +2
We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved…